D628-0005 Screening compound: 2-(1-cyclopropanecarbonylpyrrolidin-2-yl)-1,3-benzothiazole

D628-0005 Screening compound: 2-(1-cyclopropanecarbonylpyrrolidin-2-yl)-1,3-benzothiazole
D628-0005 Screening compound: 2-(1-cyclopropanecarbonylpyrrolidin-2-yl)-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D628-0005
2-(1-cyclopropanecarbonylpyrrolidin-2-yl)-1,3-benzothiazole

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D628-0005

Molecular Formula

C15H16N2OS (C15 H16 N2 OS)

Compound Name

2-(1-cyclopropanecarbonylpyrrolidin-2-yl)-1,3-benzothiazole

IUPAC name

2-(1-cyclopropanecarbonylpyrrolidin-2-yl)-13-benzothiazole

SMILES

O=C(C1CC1)N(CCC1)C1c1nc(cccc2)c2s1

InChI

InChI=1S/C15H16N2OS/c18-15(10-7-8-10)17-9-3-5-12(17)14-16-11-4-1-2-6-13(11)19-14/h1-2,4,6,10,12H,3,5,7-9H2/t12-/m0/s1

InChI Key

QTULWXMULBECJR-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD08881032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.015

Distribution Coefficient, logD

3.015

Water Solubility, LogSw

-3.09

Polar Surface Area

26.919

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

D628-0005 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

GABA Library (7115 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D628-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D628-0005?
Check Price and Availability of D628-0005, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D628-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D628-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D628-0005
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D628-0005 available by request